2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one

C12H16O3 — CID 135013989

IUPAC2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one
SMILESCOC1=CC(O)=C2C(=O)C1CCC2(C)C
InChIInChI=1S/C12H16O3/c1-12(2)5-4-7-9(15-3)6-8(13)10(12)11(7)14/h6-7,13H,4-5H2,1-3H3
InChIKeyKWSSFPHASURWPI-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.35
Rot. Bonds1

About 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one

2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one (PubChem CID 135013989) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one
PubChem CID135013989
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one
SMILESCOC1=CC(O)=C2C(=O)C1CCC2(C)C
InChIInChI=1S/C12H16O3/c1-12(2)5-4-7-9(15-3)6-8(13)10(12)11(7)14/h6-7,13H,4-5H2,1-3H3
InChIKeyKWSSFPHASURWPI-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-8,8-dimethyl-9-oxobicyclo[3.3.1]nona-1,3-dien-2-olate
CID 135013988
(5S)-2-methoxy-6,6-dimethyl-4-oxobicyclo[3.3.1]nona-1(9),2-dien-9-olate
CID 135013990
(5R)-4-methoxy-6,6-dimethyl-9-oxobicyclo[3.3.1]nona-1,3-dien-2-olate
CID 135014228
2-Methoxy-8,8-dimethyl-4-oxobicyclo[3.3.1]nona-1(9),2-dien-9-olate
CID 135039808
(1S)-9-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-3,5(9)-dien-2-one
CID 135013991
(5R)-2-hydroxy-4-methoxy-6,6-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one
CID 135014229
9-Hydroxy-4-methoxy-6,6-dimethylbicyclo[3.3.1]nona-3,5(9)-dien-2-one
CID 135039809

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one?
The IUPAC name of 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one (CID 135013989) is 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one.
What is the SMILES notation for 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one?
The canonical SMILES for 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one is COC1=CC(O)=C2C(=O)C1CCC2(C)C.
What is the InChIKey of 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one?
The InChIKey is KWSSFPHASURWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2)5-4-7-9(15-3)6-8(13)10(12)11(7)14/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one?
2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one has a molecular weight of 208.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-1,3-dien-9-one is sourced from PubChem (CID 135013989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).